bis(sulfanyl)methylurea

C2H6N2OS2 — CID 142135016

IUPACbis(sulfanyl)methylurea
SMILESNC(=O)NC(S)S
InChIInChI=1S/C2H6N2OS2/c3-1(5)4-2(6)7/h2,6-7H,(H3,3,4,5)
InChIKeyIMIAZDRGIBPQJI-UHFFFAOYSA-N
MW138.22 g/mol
LogP-0.20
Rot. Bonds1

About bis(sulfanyl)methylurea

bis(sulfanyl)methylurea (PubChem CID 142135016) has the molecular formula C2H6N2OS2 and a molecular weight of 138.22 g/mol. Its IUPAC name is bis(sulfanyl)methylurea.

Molecular Properties

Compound Namebis(sulfanyl)methylurea
PubChem CID142135016
Molecular FormulaC2H6N2OS2
Molecular Weight138.22 g/mol
Exact Mass137.99
IUPAC Namebis(sulfanyl)methylurea
SMILESNC(=O)NC(S)S
InChIInChI=1S/C2H6N2OS2/c3-1(5)4-2(6)7/h2,6-7H,(H3,3,4,5)
InChIKeyIMIAZDRGIBPQJI-UHFFFAOYSA-N
XLogP-0.20
TPSA55.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)methylurea?
The IUPAC name of bis(sulfanyl)methylurea (CID 142135016) is bis(sulfanyl)methylurea.
What is the SMILES notation for bis(sulfanyl)methylurea?
The canonical SMILES for bis(sulfanyl)methylurea is NC(=O)NC(S)S.
What is the InChIKey of bis(sulfanyl)methylurea?
The InChIKey is IMIAZDRGIBPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2OS2/c3-1(5)4-2(6)7/h2,6-7H,(H3,3,4,5).
What are the key properties of bis(sulfanyl)methylurea?
bis(sulfanyl)methylurea has a molecular weight of 138.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)methylurea is sourced from PubChem (CID 142135016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).